SCHEMBL2018299

SCHEMBL2018299

CNC(=O)c1ccc(-c2ccc(C=O)s2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 5/20 0.60
HPGD P15428 4/20 0.49
KDM4E B2RXH2 4/20 0.49
NPC1 O15118 3/20 0.49
ALDH1A1 P00352 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 2/20 0.47
APP P05067 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CYP2E1 P05181 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2B6 P20813 1/20 0.44
CYP2C19 P33261 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16198922 0.86 PRF1 (0.59) PRF1HPGDKDM4ENPC1ALDH1A1
SCHEMBL2016057 0.83 PRF1 (0.56) PRF1SMN1; SMN2MAPTAPPHDAC6
SCHEMBL608586 0.83 PRF1 (0.60) PRF1HPGDKDM4ENPC1ALDH1A1
SCHEMBL2015912 0.81 APP (0.54) PRF1KDM4EALDH1A1RAB9AMAPT
SCHEMBL2021463 0.81 PRF1 (0.61) PRF1HPGDKDM4EALDH1A1APP
SCHEMBL2017235 0.81 PRF1 (0.65) PRF1HPGDAPPGAAKMT2A
SCHEMBL24534467 0.80 NPC1 (0.51) PRF1HPGDKDM4ENPC1ALDH1A1
SCHEMBL2015377 0.80 PRF1 (0.56) PRF1MAPTAPPCYP2E1CYP3A4
SCHEMBL2019176 0.79 PRF1 (0.58) PRF1HPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL2018172 0.79 PRF1 (0.63) PRF1ALDH1A1APPMKNK1MKNK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130065897-A1 COMPOUNDS, PREPARATION AND USES THEREOF PETER MACCALLUM CANCER INSTITUTE (AU) 2013-03-14 US disclosed
EP-2515903-A1 COMPOUNDS, PREPARATIONS AND USES THEREOF Peter MacCallum Cancer Institute (AU) 2012-10-31 EP disclosed
WO-2011075784-A1 COMPOUNDS, PREPARATIONS AND USES THEREOF PETER MACCALLUM CANCER INSTITUTE (AU) 2011-06-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130065897-A1 COMPOUNDS, PREPARATION AND USES THEREOF PRF1, GZMB, SERPINB1 PRF1 1/4885HPGD 677/4885KDM4E 4655/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.